1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea

C16H21ClN2O — CID 3091316

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C1CC2CCC1C2
InChIInChI=1S/C16H21ClN2O/c1-10(15-8-11-5-6-12(15)7-11)18-16(20)19-14-4-2-3-13(17)9-14/h2-4,9-12,15H,5-8H2,1H3,(H2,18,19,20)
InChIKeyFHUITSHWOHVEGZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.29
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea (PubChem CID 3091316) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
PubChem CID3091316
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C1CC2CCC1C2
InChIInChI=1S/C16H21ClN2O/c1-10(15-8-11-5-6-12(15)7-11)18-16(20)19-14-4-2-3-13(17)9-14/h2-4,9-12,15H,5-8H2,1H3,(H2,18,19,20)
InChIKeyFHUITSHWOHVEGZ-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-methylphenyl)urea
CID 98329753
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 98592255
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,3-dimethylphenyl)urea
CID 6465340
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide
CID 108502946
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea (CID 3091316) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea is CC(NC(=O)Nc1cccc(Cl)c1)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea?
The InChIKey is FHUITSHWOHVEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10(15-8-11-5-6-12(15)7-11)18-16(20)19-14-4-2-3-13(17)9-14/h2-4,9-12,15H,5-8H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea has a molecular weight of 292.81 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 3091316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).